OESetPackedCoords

void OESetPackedCoords(OEMolBase &mol, const float *coords)
void OESetPackedCoords(OEMolBase &mol, const double *coords)

Sets the coordinates of the molecule to the coordinates passed in the coords argument. The coords array must be at least of size OEMolBase.NumAtoms *3. The atom coordinates in the coords array should be packed and they should be in the same order as the atoms in the iterator returned by OEMolBase.GetAtoms.

mol

The molecule to set coordinates.

coords

The array with coordinates.